6-[4-(Methylsulfonyl)phenyl]-2-pyridinecarboxaldehyde - CAS 834884-84-3
Catalog: |
BB037039 |
Product Name: |
6-[4-(Methylsulfonyl)phenyl]-2-pyridinecarboxaldehyde |
CAS: |
834884-84-3 |
Synonyms: |
6-(4-methylsulfonylphenyl)pyridine-2-carbaldehyde |
IUPAC Name: | 6-(4-methylsulfonylphenyl)pyridine-2-carbaldehyde |
Description: | 6-[4-(Methylsulfonyl)phenyl]-2-pyridinecarboxaldehyde (CAS# 834884-84-3 ) is a useful research chemical. |
Molecular Weight: | 261.30 |
Molecular Formula: | C13H11NO3S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC=C2)C=O |
InChI: | InChI=1S/C13H11NO3S/c1-18(16,17)12-7-5-10(6-8-12)13-4-2-3-11(9-15)14-13/h2-9H,1H3 |
InChI Key: | QXKMSDYWZMIYDE-UHFFFAOYSA-N |
Boiling Point: | 477.3 °C at 760 mmHg |
Density: | 1.297 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD07368910 |
LogP: | 3.04540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014140956-A1 | Biaryl derivatives as bromodomain inhibitors | 20121121 |
US-9765039-B2 | Biaryl derivatives as bromodomain inhibitors | 20121121 |
US-2013281397-A1 | Treatment of diseases by epigenetic regulation | 20120419 |
CN-102089037-A | Equilibrated dynamic mixtures containing stabilized hemiacetals for the controlled release of active alcohols | 20080822 |
EP-2318100-A1 | Equilibrated dynamic mixtures containing stabilized hemiacetals for the controlled release of active alcohols | 20080822 |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.04596439 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.04596439 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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